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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'MurF (S. pneumoniae)' and Ligand = 'BDBM50137775'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MurF (S. pneumoniae)


(Streptococcus pneumoniae (Firmicutes))
BDBM50137775
PNG
(2,4-DICHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-BENZOTH...)
Show SMILES Clc1cc(Cl)c(cc1C(=O)Nc1sc2CCCCc2c1C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H19Cl2N3O4S2/c21-15-10-16(22)18(31(27,28)25-5-7-29-8-6-25)9-13(15)19(26)24-20-14(11-23)12-3-1-2-4-17(12)30-20/h9-10H,1-8H2,(H,24,26)
PDB
MMDB

KEGG

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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)